Geometry & MOs

Info

ID:	343168
PubChem CID:	127266341
Reduced:	N4O5C11H14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	348.098918
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	6.62
IP(EA), eV:	-9.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(5-chloropyrazin-2-yl)methylcarbamoylamino]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NN(C)C(=O)OC

DOS

IR

Vibrations